LAMMPS (24 Dec 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
  using 1 OpenMP thread(s) per MPI task
# Big colloid particles and small LJ particles

units		lj
atom_style	sphere
dimension	2

lattice		sq 0.1
Lattice spacing in x,y,z = 3.1622777 3.1622777 3.1622777
region		box block 0 60 0 60 -0.5 0.5
create_box	5 box
Created orthogonal box = (0.0000000 0.0000000 -1.5811388) to (189.73666 189.73666 1.5811388)
  1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 3600 atoms
  create_atoms CPU = 0.001 seconds

#Roughly equally partition atoms between types 1-4
set		group all type/fraction 2 0.500 23984
Setting atom values ...
  1768 settings made for type/fraction
set		group all type/fraction 3 0.333 43684
Setting atom values ...
  1255 settings made for type/fraction
set		group all type/fraction 4 0.250 87811
Setting atom values ...
  927 settings made for type/fraction

# remove two spheres of small particles and add large particles in the voids
region sphere1 sphere 60.0 60.0 0.0 30.0 units box
region sphere2 sphere 130.0 130.0 0.0 30.0 units box
delete_atoms  region sphere1
Deleted 289 atoms, new total = 3311
delete_atoms  region sphere2
Deleted 287 atoms, new total = 3024
create_atoms 5 single 60.0 60.0 0.0 units box
Created 1 atoms
  create_atoms CPU = 0.000 seconds
create_atoms 5 single 130.0 130.0 0.0 units box
Created 1 atoms
  create_atoms CPU = 0.000 seconds

set		type 1 mass 400
Setting atom values ...
  753 settings made for mass
set		type 2 mass 1
Setting atom values ...
  722 settings made for mass

velocity	all create 1.44 87287 loop geom

# multi neighbor and comm for efficiency

neighbor	1 multi/old #multi
neigh_modify	delay 0 #multi/custom 2 1*4 5
comm_modify     mode multi/old #multi multi/reduce

# colloid potential

pair_style	colloid 20.0
pair_coeff	* * 144.0 1.0 0.0 0.0 3.0
pair_coeff	1 5 75.4  1.0 0.0 20.0 14.0
pair_coeff	2 5 75.4  1.0 0.0 20.0 14.0
pair_coeff	3 5 75.4  1.0 0.0 20.0 14.0
pair_coeff	4 5 75.4  1.0 0.0 20.0 14.0
pair_coeff	5 5 39.5  1.0 20.0 20.0 30.0



fix		1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 	        mtk no pchain 0 tchain 1
fix		2 all enforce2d

#dump		1 all atom 1000 dump.colloid

#dump		2 all image 1000 image.*.jpg type type #		zoom 1.5 center d 0.5 0.5 0.5
#dump_modify	2 pad 5 adiam 1 5.0 adiam 2 1.5

#dump		3 all movie 1000 movie.mpg type type #		zoom 1.5 center d 0.5 0.5 0.5
#dump_modify	3 pad 5 adiam 1 5.0 adiam 2 1.5

thermo_style	custom step temp epair etotal press vol
thermo		1000

timestep	0.005

run		50000
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 31
  ghost atom cutoff = 31
  binsize = 2, bins = 95 95 2
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair colloid, perpetual
      attributes: half, newton on
      pair build: half/multi/old/newton
      stencil: half/multi/old/2d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 4.496 | 4.496 | 4.496 Mbytes
Step Temp E_pair TotEng Press Volume 
       0         1.44            0    1.4395241        0.121        36000 
    1000    1.8856066  -0.15771717    1.7272663   0.13840578    42574.399 
    2000    1.8589993  -0.11434676    1.7440382  0.097157151     58590.69 
    3000    1.8984314 -0.093445816    1.8043582   0.07444246     77824.12 
    4000    1.9603204  -0.07451891    1.8851536  0.066010381    90951.299 
    5000    2.0298924 -0.073898174    1.9553234  0.075791214     90146.92 
    6000    2.0797015 -0.086800284     1.992214  0.082095164    78182.702 
    7000     2.086794  -0.10961479    1.9764895   0.10103993    63990.387 
    8000     2.082863  -0.12779588    1.9543788   0.12672452    52629.802 
    9000    2.0718275  -0.15189022    1.9192526   0.14728063    44541.722 
   10000    2.0603856  -0.18054161    1.8791631   0.16715133    38940.135 
   11000     2.046791  -0.20458359     1.841531   0.19532742    34907.116 
   12000    2.0406846   -0.2252868    1.8147234    0.2036178    31740.208 
   13000    2.0369763  -0.23721632    1.7990869   0.25542564    29079.901 
   14000    2.0376121  -0.26282517    1.7741135   0.24722118    26947.344 
   15000    2.0312772   -0.2851101    1.7454959    0.2801199    25180.963 
   16000    2.0080448  -0.28992973    1.7174515   0.30099318    23723.043 
   17000    2.0234993  -0.30440169    1.7184289    0.3193226    22342.977 
   18000    2.0216103  -0.32036933    1.7005729    0.3460322     21068.99 
   19000    2.0493952  -0.37711533    1.6716026   0.33804972    20013.325 
   20000    2.0307894  -0.38462795    1.6454903   0.37041981    19092.745 
   21000    2.0328577  -0.39442652    1.6377594   0.36327057    18260.298 
   22000    2.0325613  -0.40481002    1.6270796   0.42756691    17447.199 
   23000    2.0199358  -0.42175719    1.5975111   0.40948041     16768.71 
   24000    2.0149952  -0.43618764    1.5781417   0.45406069    16187.334 
   25000    2.0153221  -0.45884172    1.5558143   0.52717203    15605.577 
   26000    2.0099026  -0.47080566    1.5384327   0.49181459    15088.041 
   27000    2.0128537  -0.49799999    1.5141885   0.53907465    14590.392 
   28000    2.0287266  -0.53112525    1.4969309   0.59750714    14208.419 
   29000    2.0143609  -0.53175704    1.4819381   0.56118773    13840.642 
   30000    2.0235262  -0.53923416    1.4836234   0.52579997     13500.15 
   31000    2.0390444  -0.57976823    1.4586023    0.5760349    13082.091 
   32000     2.018046  -0.57797686    1.4394022   0.59127933    12761.726 
   33000    2.0059068  -0.57185148    1.4333925   0.58992758    12473.866 
   34000    1.9828456  -0.57147221    1.4107181   0.77593228    12208.869 
   35000    1.9900097  -0.58349168    1.4058604     0.681968    11937.285 
   36000    2.0271405  -0.64374859     1.382722   0.63152587    11675.264 
   37000    2.0032809  -0.63520712    1.3674117   0.71639384    11440.274 
   38000    2.0000566  -0.63941617    1.3599795   0.74099652    11235.252 
   39000    1.9872705  -0.64765522    1.3389586    0.7575743    11080.857 
   40000    2.0224403   -0.6795645    1.3422075   0.82918546    10861.905 
   41000    2.0137595  -0.69863075    1.3144633   0.80397759    10712.981 
   42000    1.9950915  -0.68892531    1.3055069   0.77631365    10632.931 
   43000    2.0080851  -0.70534369    1.3020778   0.82408436     10408.82 
   44000    2.0239806  -0.73189482    1.2914169   0.83228695     10227.18 
   45000    2.0019542  -0.72613202    1.2751606    0.9145618    10044.013 
   46000    2.0173095  -0.75370218    1.2629407   0.99791312    9837.9611 
   47000    1.9921201  -0.75875076     1.232711    1.0047839    9711.2083 
   48000    2.0283587  -0.79063641     1.237052   0.83617499    9610.9933 
   49000    2.0051919  -0.79078067    1.2137485   0.95651813    9411.7165 
   50000    2.0140985  -0.81796958    1.1954634   0.93791038     9296.069 
Loop time of 28.5339 on 1 procs for 50000 steps with 3026 atoms

Performance: 756994.490 tau/day, 1752.302 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.918     | 10.918     | 10.918     |   0.0 | 38.26
Neigh   | 10.375     | 10.375     | 10.375     |   0.0 | 36.36
Comm    | 1.2856     | 1.2856     | 1.2856     |   0.0 |  4.51
Output  | 0.0010955  | 0.0010955  | 0.0010955  |   0.0 |  0.00
Modify  | 5.0132     | 5.0132     | 5.0132     |   0.0 | 17.57
Other   |            | 0.9412     |            |       |  3.30

Nlocal:        3026.00 ave        3026 max        3026 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        2292.00 ave        2292 max        2292 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        25767.0 ave       25767 max       25767 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 25767
Ave neighs/atom = 8.5152016
Neighbor list builds = 4332
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:28
